Geometry & MOs

Info

ID:	194170
PubChem CID:	78493456
Reduced:	SN3O5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	411.147058
ΔH_f, kcal/mol:	-112.71
Dipole, Da:	6.79
IP(EA), eV:	-9.14(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,2-bis(4-methylphenyl)-2-oxoethyl] 4-oxo-4aH-quinoline-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NCC(=O)OCC2=NC(=O)C3C4=C(CCC4)SC3=N2

DOS

IR

Vibrations